potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate

C6H21KNO7S+ — CID 45108758

IUPACpotassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate
SMILESCC1(C)NCSC1C(=O)O.O.O.O.O.O.[K+]
InChIInChI=1S/C6H11NO2S.K.5H2O/c1-6(2)4(5(8)9)10-3-7-6;;;;;;/h4,7H,3H2,1-2H3,(H,8,9);;5*1H2/q;+1;;;;;
InChIKeyOIDJXEDYXNERMB-UHFFFAOYSA-N
MW290.40 g/mol
LogP-6.61
Rot. Bonds1

About potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate

potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate (PubChem CID 45108758) has the molecular formula C6H21KNO7S+ and a molecular weight of 290.40 g/mol. Its IUPAC name is potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate.

Molecular Properties

Compound Namepotassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate
PubChem CID45108758
Molecular FormulaC6H21KNO7S+
Molecular Weight290.40 g/mol
Exact Mass290.07
IUPAC Namepotassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate
SMILESCC1(C)NCSC1C(=O)O.O.O.O.O.O.[K+]
InChIInChI=1S/C6H11NO2S.K.5H2O/c1-6(2)4(5(8)9)10-3-7-6;;;;;;/h4,7H,3H2,1-2H3,(H,8,9);;5*1H2/q;+1;;;;;
InChIKeyOIDJXEDYXNERMB-UHFFFAOYSA-N
XLogP-6.61
TPSA206.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 5-6.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate?
The IUPAC name of potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate (CID 45108758) is potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate.
What is the SMILES notation for potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate?
The canonical SMILES for potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate is CC1(C)NCSC1C(=O)O.O.O.O.O.O.[K+].
What is the InChIKey of potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate?
The InChIKey is OIDJXEDYXNERMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S.K.5H2O/c1-6(2)4(5(8)9)10-3-7-6;;;;;;/h4,7H,3H2,1-2H3,(H,8,9);;5*1H2/q;+1;;;;;.
What are the key properties of potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate?
potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate has a molecular weight of 290.40 g/mol, XLogP of -6.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate is sourced from PubChem (CID 45108758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).